2-[(2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[(2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4333-3488 |
| Compound Name: | 2-[(2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3967 |
| logD: | 5.3967 |
| logSw: | -5.6191 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8438 |
| InChI Key: | KBTHUQAPRVINJW-UHFFFAOYSA-N |